SCHEMBL316063

SCHEMBL316063

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CS[C@H]1Oc1cncc(-c2cncnc2)c1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB1 P11230 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNB3 Q05901 1/20 0.34
CYP11B2 P19099 3/20 0.32
MKNK1 Q9BUB5 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
ABL1 P00519 1/20 0.31
CYP11B1 P15538 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL316064 1.00 CHRNB1 (0.34) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL3399894 0.92 MKNK1 (0.40) CHRNB2CYP11B2MKNK1MKNK2CYP11B1
SCHEMBL316434 0.92 MKNK1 (0.40) CHRNB2CYP11B2MKNK1MKNK2CYP11B1
SCHEMBL315640 0.91 PIK3CG (0.32) CYP11B2MKNK1MKNK2
SCHEMBL3400268 0.91 PIK3CG (0.32) CYP11B2MKNK1MKNK2
SCHEMBL314631 0.90 MKNK1 (0.34) CYP11B2MKNK1MKNK2CYP11B1
SCHEMBL3400937 0.90 CYP11B2 (0.34) CYP11B2ABL1CYP11B1
SCHEMBL315159 0.90 CYP11B2 (0.34) CYP11B2ABL1CYP11B1
SCHEMBL314632 0.90 MKNK1 (0.34) CYP11B2MKNK1MKNK2CYP11B1
SCHEMBL2139089 0.90 CHRNB2 (0.36) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093394-B2 Derivatives of 5-thioxylopyranose and use of same for treatment LABORATOIRES FOURNIER S.A. (FR) 2012-01-10 US disclosed
EP-2066683-B1 DERIVATIVES OF 5-THIOXYLOPYRANOSE AND USE OF SAME FOR TREATMENT FOURNIER LAB SA (FR) 2010-11-03 EP disclosed
US-20090182013-A1 Derivatives of 5-Thioxylopyranose and Use of Same for Treatment LABORATOIRES FOURNIER S.A. (FR) 2009-07-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090182013-A1 Derivatives of 5-Thioxylopyranose and Use of Same for Treatment TPMT, PNPO, PPOX CHRNB1 4583/4885CHRNB2 4851/4885CHRNB4 4868/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.